SCHEMBL30870543

SCHEMBL30870543

COc1cc(NC(=O)C2CCC(Nc3cccc(OCCN(C)C)c3[N+](=O)[O-])CC2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ EGFR P00533 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28508892 1.00 POLB (0.40) POLBMCHR1MAPTALDH1A1KMT2A
SCHEMBL30870585 0.96 POLB (0.39) POLBMCHR1MAPTALDH1A1KMT2A
SCHEMBL28507962 0.96 POLB (0.39) POLBMCHR1MAPTALDH1A1KMT2A
SCHEMBL30825652 0.90 MAPT (0.36) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL28502104 0.89 POLB (0.40) POLBMAPTALDH1A1KMT2AMTNR1A
SCHEMBL30870613 0.89 POLB (0.40) POLBMAPTALDH1A1KMT2AMTNR1A
SCHEMBL30870587 0.88 POLB (0.40) POLBMCHR1MAPTALDH1A1KMT2A
SCHEMBL28503419 0.88 POLB (0.40) POLBMCHR1MAPTALDH1A1KMT2A
SCHEMBL28498691 0.87 POLB (0.46) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL30870537 0.87 POLB (0.46) POLBMAPTALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 — — CN disclosed
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